1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone

C19H24N6O2 — CID 72898397

IUPAC1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1
InChIInChI=1S/C19H24N6O2/c26-16(11-23-10-6-20-13-23)24-8-4-19(5-9-24)17-15(21-12-22-17)3-7-25(19)18(27)14-1-2-14/h6,10,12-14H,1-5,7-9,11H2,(H,21,22)
InChIKeyCXEQSNOERSNSHZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.92
Rot. Bonds3

About 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone

1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone (PubChem CID 72898397) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
PubChem CID72898397
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1
InChIInChI=1S/C19H24N6O2/c26-16(11-23-10-6-20-13-23)24-8-4-19(5-9-24)17-15(21-12-22-17)3-7-25(19)18(27)14-1-2-14/h6,10,12-14H,1-5,7-9,11H2,(H,21,22)
InChIKeyCXEQSNOERSNSHZ-UHFFFAOYSA-N
XLogP0.92
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone (CID 72898397) is 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1.
What is the InChIKey of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone?
The InChIKey is CXEQSNOERSNSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-16(11-23-10-6-20-13-23)24-8-4-19(5-9-24)17-15(21-12-22-17)3-7-25(19)18(27)14-1-2-14/h6,10,12-14H,1-5,7-9,11H2,(H,21,22).
What are the key properties of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone?
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone has a molecular weight of 368.44 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 72898397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).